N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C13H19N5O3 — CID 146122980

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)C2CC(=O)N(C)C2)cn1
InChIInChI=1S/C13H19N5O3/c1-16(2)12(20)8-18-7-10(5-14-18)15-13(21)9-4-11(19)17(3)6-9/h5,7,9H,4,6,8H2,1-3H3,(H,15,21)
InChIKeyTUFUTZBUKWHKIC-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.61
Rot. Bonds4

About N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 146122980) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID146122980
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)C2CC(=O)N(C)C2)cn1
InChIInChI=1S/C13H19N5O3/c1-16(2)12(20)8-18-7-10(5-14-18)15-13(21)9-4-11(19)17(3)6-9/h5,7,9H,4,6,8H2,1-3H3,(H,15,21)
InChIKeyTUFUTZBUKWHKIC-UHFFFAOYSA-N
XLogP-0.61
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71897000
(3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95171735
2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019036
N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 42956709
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 136522886
(3R)-N-(1-ethylpyrazol-4-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95298742
(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7357016
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
1-methyl-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 43926673

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 146122980) is N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN(C)C(=O)Cn1cc(NC(=O)C2CC(=O)N(C)C2)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TUFUTZBUKWHKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-16(2)12(20)8-18-7-10(5-14-18)15-13(21)9-4-11(19)17(3)6-9/h5,7,9H,4,6,8H2,1-3H3,(H,15,21).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 146122980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).